Information card for entry 7011871

Structure parameters

• Formula: C36 H36 Cl N3 P2 Ru
• Calculated formula: C36 H36 Cl N3 P2 Ru
• SMILES: [Ru]12345([P](N([C@H](c1ccccc1)C)[P]1(c1ccccc1)c1ccccc1)(n1nc(cc1C)C)c1ccccc1)(Cl)[cH]1[cH]5[cH]4[cH]3[cH]21
• Title of publication: Half-sandwich cyclopentadienyl ruthenium complexes of achiral and chiral diphosphazanes
• Authors of publication: Raghuraman, Kannan; Krishnamurthy, Setharampattu S.; Nethaji, Munirathinam
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 22
• Pages of publication: 4289
• a: 13.131 ± 0.002 Å
• b: 14.297 ± 0.002 Å
• c: 17.2878 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3245.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1787
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No